ni2.rcn2_out
Information sections, not part of the actual file ni2.rcn2_out
0 0 0 .0 0 00 00000000 0 99 99 99 99 99 .00 1
2 2 9 .0
G5INP 000 00 00000000 9999999999 .00
1229
1RCN2---INPUT FOR RCG mod 5
1 2 1 12 1 10 00 9 00000000 0 8065.4790 .00 1 3 2 9 1
P 6 D 8
P 5 D 9
INFO: The calculated Slater Integrals
0Ni2+ 2P06 3D08 .00000 12.23388 7.59758 .08260 .00000 HR FACT= 1.00 1.00 1.00 1.00 1.00
1
0Ni2+ 2P05 3D09 860.16587 11.50705 .10216 7.72134 5.78658 HR FACT= 1.00 1.00 1.00 1.00 1.00
3.29091
1
Z KUT CA1 CA0 CONF1 CONF2 R INTEGRAL REDUCED MUPOLE ELEMENT FRAC SIGMA SQ OVER FR1
--- --- ---- ---- ------------------- ------------------- ---------- ---------------------------- ------ --------- ----- -----
28 -1 .70 .50 Ni2+ 2P06 3D08 Ni2+ 2P05 3D09 .130838 ( 2P//R1// 3D)= -.18503 A0 1.0000 .001141 .362-1.000
SQRTDEL= 1.0000 -.18503
-99999999. T= .000 SEC